Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLACGSDDLRTEEGLRIAALYGWDPEDTACQLLQRGENGTFLVR-TSGTRYILRRYRRERYREQEILAELAWMCALR-DHINVPNVIANTEGDLATRLVGPDGERLYAVFEFIEGESPESSSSEDYRRLGELMKALHRGADAIAQSMNEDWAGWNRPVYDVQRAVREPLRHLLQFEALSEVNKTRCVSVARELERRFRTLQPGRPFVHADLHFGNIVVREP-NWYCLDFDECGYGHRAFDLGVVRLHLRN---RSDNFDCWAHFEHGYGDMPSRGDLATGTAARIFYMAGKIPMRQDIDSLRHNPDARIGKYLTWIEDELM 2PPQ Chain:A ((5-281)) ------TDITEDELRNFLTQYDVGS-LTSYKGIAE--NSNFLLHTT-KDPLILTLYEK----KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGEL----SGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFE--IKRPN-ALSVDGWK--VLWDK-SEERA--DEVEKGLREEIRPEIDYLAAHWP-KDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAEL-EALPLLSRGSALRFFLTRL----------------------

General information: TITO was launched using: RESULT: Template: 2PPQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1229 -35421 -28.82 -133.66 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -28.82 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.288

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: